N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide

C34H35N7O6S2 — CID 59421042

IUPACN-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCC(NS(=O)(=O)c3ccc4ccccc4c3)CC2)nc1N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C34H35N7O6S2/c42-33(37-43)31-23-35-34(40-15-13-28(14-16-40)38-48(44,45)29-11-9-24-5-1-3-7-26(24)21-29)36-32(31)39-17-19-41(20-18-39)49(46,47)30-12-10-25-6-2-4-8-27(25)22-30/h1-12,21-23,28,38,43H,13-20H2,(H,37,42)
InChIKeyCIQQDTXMWWJNIJ-UHFFFAOYSA-N
MW701.83 g/mol
LogP3.36
Rot. Bonds8

About N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide

N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 59421042) has the molecular formula C34H35N7O6S2 and a molecular weight of 701.83 g/mol. Its IUPAC name is N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID59421042
Molecular FormulaC34H35N7O6S2
Molecular Weight701.83 g/mol
Exact Mass701.21
IUPAC NameN-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCC(NS(=O)(=O)c3ccc4ccccc4c3)CC2)nc1N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C34H35N7O6S2/c42-33(37-43)31-23-35-34(40-15-13-28(14-16-40)38-48(44,45)29-11-9-24-5-1-3-7-26(24)21-29)36-32(31)39-17-19-41(20-18-39)49(46,47)30-12-10-25-6-2-4-8-27(25)22-30/h1-12,21-23,28,38,43H,13-20H2,(H,37,42)
InChIKeyCIQQDTXMWWJNIJ-UHFFFAOYSA-N
XLogP3.36
TPSA165.14 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500701.83
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 59421042) is N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CCC(NS(=O)(=O)c3ccc4ccccc4c3)CC2)nc1N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is CIQQDTXMWWJNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N7O6S2/c42-33(37-43)31-23-35-34(40-15-13-28(14-16-40)38-48(44,45)29-11-9-24-5-1-3-7-26(24)21-29)36-32(31)39-17-19-41(20-18-39)49(46,47)30-12-10-25-6-2-4-8-27(25)22-30/h1-12,21-23,28,38,43H,13-20H2,(H,37,42).
What are the key properties of N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide?
N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 701.83 g/mol, XLogP of 3.36, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 59421042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).